N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine

C20H18N6O — CID 68631300

IUPACN-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine
SMILESCOc1cc(Nc2nccc(-c3cccnc3)n2)ccc1-c1ncc(C)[nH]1
InChIInChI=1S/C20H18N6O/c1-13-11-23-19(24-13)16-6-5-15(10-18(16)27-2)25-20-22-9-7-17(26-20)14-4-3-8-21-12-14/h3-12H,1-2H3,(H,23,24)(H,22,25,26)
InChIKeyMFFVVLISDHJELS-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.99
Rot. Bonds5

About N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine

N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine (PubChem CID 68631300) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine
PubChem CID68631300
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC NameN-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine
SMILESCOc1cc(Nc2nccc(-c3cccnc3)n2)ccc1-c1ncc(C)[nH]1
InChIInChI=1S/C20H18N6O/c1-13-11-23-19(24-13)16-6-5-15(10-18(16)27-2)25-20-22-9-7-17(26-20)14-4-3-8-21-12-14/h3-12H,1-2H3,(H,23,24)(H,22,25,26)
InChIKeyMFFVVLISDHJELS-UHFFFAOYSA-N
XLogP3.99
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]pyrimidin-4-yl]piperidin-4-ol
CID 68631814
N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4,6-di(propan-2-yl)pyrimidin-2-amine
CID 68630492
6-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-2-N-phenylpyridine-2,6-diamine
CID 68631964
ethane;N-(3-methylphenyl)-4-pyridin-3-ylpyrimidin-2-amine
CID 90795343
5-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-2-(5-methyl-1H-imidazol-2-yl)benzonitrile
CID 68631256
6-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,6-diamine
CID 68629643
N-[3-methoxy-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]acetamide
CID 10064728
4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoic acid
CID 69019170
N-(3,4-dimethylphenyl)-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide
CID 171354399
2-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]-1,3-thiazol-4-yl]propan-2-ol
CID 87371058
6-benzyl-2-chloro-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]pyrimidin-4-amine
CID 87523530
2-cyclopropyl-2-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]-4-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]acetonitrile
CID 68630280

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine?
The IUPAC name of N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine (CID 68631300) is N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine is COc1cc(Nc2nccc(-c3cccnc3)n2)ccc1-c1ncc(C)[nH]1.
What is the InChIKey of N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine?
The InChIKey is MFFVVLISDHJELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c1-13-11-23-19(24-13)16-6-5-15(10-18(16)27-2)25-20-22-9-7-17(26-20)14-4-3-8-21-12-14/h3-12H,1-2H3,(H,23,24)(H,22,25,26).
What are the key properties of N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine?
N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine has a molecular weight of 358.41 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 68631300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).